CAS 294-80-4 1,5,9-Triazacyclododecane (HCID 470778)

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Basic information

CAS: 294-80-4
Standard SMILES: C1CNCCCNCCCNC1
InChIKey: VQFZKDXSJZVGDA-UHFFFAOYSA-N
Molecular formula: C9H21N3
Average molar mass: 171.28 g/mol

Names & identifiers

Preferred name: 1,5,9-Triazacyclododecane
IUPAC: 1,5,9-triazacyclododecane
English name: 1,5,9-Triazacyclododecane
Molecular formula: C9H21N3
Molecular weight: 171.28

Names & synonyms

1,5,9-Triazacyclododecane294-80-4RefChem:417086636-705-0MFCD000133254,8,12-triazacyclododecan[12]anen3IPS101SCHEMBL316126SCHEMBL600790CHEMBL5093691AKOS015854515

Show more names

1,5,9-triazacyclododecane (TACD)1,5,9-Triazacyclododecane Hydrochloride

CS-W004647BS-43973DB-047590D77670F790767

Database identifiers

CAS: 294-80-4
PubChem CID: 470778
ChEMBL: CHEMBL5093691
EC Number: 636-705-0
Nikkaji: J351.557E

Properties

Computed structural properties

XLogP: -0.2
Topological polar surface area: 36.1 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 70.8

Physicochemical properties

Melting point: 32 · 32-35 °C(lit.)
Boiling point: 77 · 77-78 °C3 mm Hg(lit.)
Density: 0.9935 · 0.9935 (rough estimate)
refractive index: 1.596 · 1.5960 (estimate)
Flash point: 230 °F · >230 °F
storage temp.: 2 · 2-8°C, protect from light, stored under nitrogen
form: clear liquid
color: Colorless to Light yellow to Light orange
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314
Precautionary statements: 260 · P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
Hazard Codes: C
Risk Statements: 34 · 34
Safety Statements: 26 · 26-36/37/39-45

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Corr. 1B (100%)

Safety data

F: 3-10-34
wgk: 3
ridadr: UN 3263 8/PG 2
hs_code: 2933.99.9701
risk_code: 34
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C
safety_code: 26-36/37/39-45
hazard_class: 8
packing_group: III
Hazard statements: H314
Precautionary statements: P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501